CID 130000515

2470440-98-1

Structural Information

Molecular Formula
C13H15N
SMILES
C#CC1=CC=C(C=C1)C2CCCCN2
InChI
InChI=1S/C13H15N/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13/h1,6-9,13-14H,3-5,10H2
InChIKey
SUZAMHWDNDIOQP-UHFFFAOYSA-N
Compound name
2-(4-ethynylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 146.8
[M+Na]+ 208.10967 159.5
[M+NH4]+ 203.15427 152.4
[M+K]+ 224.08361 148.6
[M-H]- 184.11317 142.5
[M+Na-2H]- 206.09512 151.3
[M]+ 185.11990 146.6
[M]- 185.12100 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.